Geometry & MOs

Info

ID:	340161
PubChem CID:	127262170
Reduced:	SN5O5C26H35 (1)
Stoich.:	AB5C5D26E35 (1)
Weight, g/mol:	518.191383
ΔH_f, kcal/mol:	-179.09
Dipole, Da:	9.18
IP(EA), eV:	-8.36(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[2-[[2-(N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-nitroanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CSCCCN([C@@H](CC1=CC=CC=C1)C(=O)N)C(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)N

DOS

IR

Vibrations